SCHEMBL9823796

SCHEMBL9823796

c1csc(Cc2nnn[nH]2)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.34
CYP2D6 P10635 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
LTA4H P09960 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A3 Q01959 1/20 0.30
NR3C1 P04150 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NOS1 P29475 1/20 0.30
HSD17B10 Q99714 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11185497 0.84 FDPS (0.33) FDPSCYP2D6CHRM2CHRM1CHRM3
SCHEMBL3787961 0.73 FDPS (0.47) FDPSCYP2D6CHRM2CHRM1CHRM3
SCHEMBL5758249 0.72 CHRM2 (0.40) FDPSCYP2D6CHRM2CHRM1CHRM3
SCHEMBL11185496 0.71 FDPS (0.32) FDPSCYP2D6CHRM2CHRM1CHRM3
SCHEMBL5548998 0.70 TAAR1 (0.47) FDPSCYP2D6ALOX15ALDH1A1
SCHEMBL4168658 0.68 TSHR (0.47) ALDH1A1TSHR
SCHEMBL11430011 0.67 TAAR1 (0.47) FDPSCYP2D6ALOX15ALDH1A1TSHR
SCHEMBL11534430 0.66 DAO (0.33)
SCHEMBL8016611 0.64
SCHEMBL909645 0.64 METAP1 (0.41) ALDH1A1TSHRNOS1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
EP-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 EP disclosed
EP-0262873-A1 N-tetrazolyl thiazolecarboxamide derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1988-04-06 EP disclosed